HMDB0033316 RDKit 3D Garcinone E 66 68 0 0 0 0 0 0 0 0999 V2000 7.3688 -0.8472 0.9513 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2138 -1.0804 1.9071 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4387 -2.0115 3.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0922 -0.4467 1.7284 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8634 -0.5359 2.5353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7219 -0.7925 1.6234 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4666 -2.0200 1.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2390 -3.1559 1.4534 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3927 -2.1758 0.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6172 -1.0900 -0.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3882 -1.2152 -0.8963 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1945 -0.2653 -1.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2332 -0.5096 -2.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4435 -1.8909 -2.6564 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0532 -2.7998 -1.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4726 -3.9399 -1.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2281 -4.3356 -2.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0673 -4.8511 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0514 0.5334 -2.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0934 0.2051 -3.4171 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8302 1.7911 -2.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6488 2.8233 -2.4375 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7858 2.0862 -1.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6082 3.4747 -0.6933 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5253 3.6921 0.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4003 4.6542 0.5404 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5593 5.6511 -0.5262 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2762 4.7645 1.7505 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9728 1.0353 -0.8043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0842 1.2086 0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2984 2.3396 0.5084 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8939 0.1387 0.4309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9494 0.3463 1.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2601 1.5438 1.8355 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1616 -0.3124 1.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7051 -1.8430 0.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0019 -0.2697 0.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8261 -1.7654 3.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2816 -3.0877 2.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5084 -1.9653 3.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0243 0.2550 0.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6496 0.3798 3.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9403 -1.3665 3.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9903 -3.0093 2.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2034 -3.1647 -0.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4378 -2.2810 -2.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 -1.8712 -3.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9807 -2.5345 -1.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4439 -4.3409 -3.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3462 -3.7416 -1.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9606 -5.4068 -1.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9775 -5.8859 -0.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1449 -4.6503 -0.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5372 -4.7379 0.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7116 0.9389 -3.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4363 2.8027 -3.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0072 4.1738 -1.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6171 3.8187 -0.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4586 2.9783 1.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5227 5.9738 -0.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0593 5.2990 -1.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1091 6.5326 -0.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2691 5.0965 1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4131 3.7598 2.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8473 5.4491 2.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9606 2.4510 1.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 3 16 17 1 0 16 18 1 0 13 19 1 0 19 20 1 0 19 21 2 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 2 3 26 27 1 0 26 28 1 0 23 29 2 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 2 0 33 34 1 0 33 6 1 0 32 10 1 0 29 12 1 0 1 35 1 0 1 36 1 0 1 37 1 0 3 38 1 0 3 39 1 0 3 40 1 0 4 41 1 0 5 42 1 0 5 43 1 0 8 44 1 0 9 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 17 49 1 0 17 50 1 0 17 51 1 0 18 52 1 0 18 53 1 0 18 54 1 0 20 55 1 0 22 56 1 0 24 57 1 0 24 58 1 0 25 59 1 0 27 60 1 0 27 61 1 0 27 62 1 0 28 63 1 0 28 64 1 0 28 65 1 0 34 66 1 0 M END